[(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane

C18H32OSi — CID 11022713

IUPAC[(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CC=C[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)CC[C@]12C
InChIInChI=1S/C18H32OSi/c1-14-9-8-10-16-15(11-12-18(14,16)5)13-19-20(6,7)17(2,3)4/h8,10,15-16H,1,9,11-13H2,2-7H3/t15-,16-,18-/m1/s1
InChIKeyKMXXXYQRLQAQNP-JFIYKMOQSA-N
MW292.54 g/mol
LogP5.56
Rot. Bonds3

About [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane

[(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11022713) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11022713
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Name[(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane
SMILESC=C1CC=C[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)CC[C@]12C
InChIInChI=1S/C18H32OSi/c1-14-9-8-10-16-15(11-12-18(14,16)5)13-19-20(6,7)17(2,3)4/h8,10,15-16H,1,9,11-13H2,2-7H3/t15-,16-,18-/m1/s1
InChIKeyKMXXXYQRLQAQNP-JFIYKMOQSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3aS,7aR)-1-methylidene-3,7a-dihydro-2H-inden-3a-yl]methoxy-tert-butyl-dimethylsilane
CID 11097819
tert-butyl-dimethyl-[2-[(1S,3R,5S)-1-methyl-2-methylidene-5-propan-2-yl-3-trimethylsilylcyclopentyl]ethoxy]silane
CID 11406012
tert-Butyldimethyl(((3aS,7R,8aS)-3,8,8-trimethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-6-yl)methoxy)silane
CID 60147480
(3a,4-Dimethyl-1,2,3,6,7,7a-hexahydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 75218881
5-(Triethylsiloxymethyl)norbornene
CID 85778197
(3aR,6S)-6-tert-butyl-1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134889222
[(3aS,5R,7aS)-7a-methyl-5-prop-1-en-2-yl-4,5,6,7-tetrahydro-1H-inden-3a-yl]methoxy-tri(propan-2-yl)silane
CID 134945478
(3aR,6S,7aR)-6-tert-butyl-1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134979344
(3aR,6S,7aS)-6-tert-butyl-1,1-dimethyl-3a,6,7,7a-tetrahydro-3H-2,1-benzoxasilole
CID 134991924
[(1R,3aE,6Z,9aR)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,5,8,9,9a-hexahydrocyclopenta[8]annulen-4-yl]-trimethylsilane
CID 135031663
[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane
CID 135031986
[(1S,3aR,4R,5S,7aS)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-7a-methyl-5-propan-2-yl-1,2,3,3a,4,5-hexahydroinden-4-yl]methoxy-tert-butyl-dimethylsilane
CID 135036073

Frequently Asked Questions

What is the IUPAC name of [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane (CID 11022713) is [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane is C=C1CC=C[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)CC[C@]12C.
What is the InChIKey of [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is KMXXXYQRLQAQNP-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H32OSi/c1-14-9-8-10-16-15(11-12-18(14,16)5)13-19-20(6,7)17(2,3)4/h8,10,15-16H,1,9,11-13H2,2-7H3/t15-,16-,18-/m1/s1.
What are the key properties of [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane?
[(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 292.54 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aS,7aR)-3a-methyl-4-methylidene-2,3,5,7a-tetrahydro-1H-inden-1-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11022713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).